UCSF

ZINC45685428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 6.13 -48.32 2 6 1 71 298.359 10
Hi High (pH 8-9.5) 1.53 4.75 -10.3 1 6 0 66 297.351 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )